(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-methylisoxazol-3-yl)butanamide CAS Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-methyl-3-isoxazolyl)butanamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide Traditional Name: (2S)-N-(5-methylisoxazol-3-yl)-2-(piperonylamino)butyramide Formula: C16H19N3O4 MolecularWeight: 317.33976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[C@@H](C(=O)NC1=NOC(=C1)C)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19N3O4/c1-3-12(16(20)18-15-6-10(2)23-19-15)17-8-11-4-5-13-14(7-11)22-9-21-13/h4-7,12,17H,3,8-9H2,1-2H3,(H,18,19,20)/t12-/m0/s1